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36 similar compounds to monomer 50243599

Compile data set for download or QSAR
Wt: 493.9
BDBM27725
Wt: 501.5
BDBM50256117
Wt: 501.5
BDBM50256118
Wt: 487.5
BDBM50256328
Wt: 501.6
BDBM50256329
Wt: 529.6
BDBM50256330
Wt: 461.5
BDBM50256444
Wt: 475.5
BDBM50256573
Wt: 489.6
BDBM50256574
Wt: 475.5
BDBM50256523
Wt: 517.6
BDBM50256167
Wt: 501.6
BDBM50256169
Wt: 473.5
BDBM50256270
Wt: 512.8
BDBM50243550
Wt: 493.9
BDBM50243551
Displayed 1 to 15 (of 36 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 27725,50256117,50256118,50256328,50256329,50256330,50256444,50256573,50256574,50256523,50256167,50256169,50256270,50243550,50243551   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27725
PNG
((2S)-2-[(3-{[(2-chloro-6-methylphenyl)carbamoyl]am...)
Show SMILES Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C27H28ClN3O4/c1-16-8-7-13-21(28)23(16)31-27(35)29-22-15-19-12-6-5-11-18(19)14-20(22)25(32)30-24(26(33)34)17-9-3-2-4-10-17/h5-8,11-15,17,24H,2-4,9-10H2,1H3,(H,30,32)(H,33,34)(H2,29,31,35)/t24-/m0/s1
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n/an/a 73n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256444
PNG
((2S,3S)-2-(3-(3-mesitylureido)-2-naphthamido)-3-me...)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C27H31N3O4/c1-6-16(3)24(26(32)33)29-25(31)21-13-19-9-7-8-10-20(19)14-22(21)28-27(34)30-23-17(4)11-15(2)12-18(23)5/h7-14,16,24H,6H2,1-5H3,(H,29,31)(H,32,33)(H2,28,30,34)/t16-,24-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50243550
PNG
((S)-2-cyclohexyl-2-(3,6-dichloro-2-(3-(2-chloro-6-...)
Show SMILES Cc1cccc(Cl)c1NC(=O)Nc1c(Cl)ccc(Cl)c1C(=O)N[C@@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C23H24Cl3N3O4/c1-12-6-5-9-15(25)18(12)28-23(33)29-20-16(26)11-10-14(24)17(20)21(30)27-19(22(31)32)13-7-3-2-4-8-13/h5-6,9-11,13,19H,2-4,7-8H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t19-/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human glycogen phosphorylase alpha


Bioorg Med Chem Lett 18: 4068-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.102
BindingDB Entry DOI: 10.7270/Q23R0SPM
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27725
PNG
((2S)-2-[(3-{[(2-chloro-6-methylphenyl)carbamoyl]am...)
Show SMILES Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C27H28ClN3O4/c1-16-8-7-13-21(28)23(16)31-27(35)29-22-15-19-12-6-5-11-18(19)14-20(22)25(32)30-24(26(33)34)17-9-3-2-4-10-17/h5-8,11-15,17,24H,2-4,9-10H2,1H3,(H,30,32)(H,33,34)(H2,29,31,35)/t24-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human glycogen phosphorylase alpha


Bioorg Med Chem Lett 18: 4068-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.102
BindingDB Entry DOI: 10.7270/Q23R0SPM
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27725
PNG
((2S)-2-[(3-{[(2-chloro-6-methylphenyl)carbamoyl]am...)
Show SMILES Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C27H28ClN3O4/c1-16-8-7-13-21(28)23(16)31-27(35)29-22-15-19-12-6-5-11-18(19)14-20(22)25(32)30-24(26(33)34)17-9-3-2-4-10-17/h5-8,11-15,17,24H,2-4,9-10H2,1H3,(H,30,32)(H,33,34)(H2,29,31,35)/t24-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human glycogen phosphorylase alpha in HepG2 cells assessed as inhibition of forskolin-induced glycogenolysis after 60 mins


Bioorg Med Chem Lett 18: 4068-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.102
BindingDB Entry DOI: 10.7270/Q23R0SPM
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27725
PNG
((2S)-2-[(3-{[(2-chloro-6-methylphenyl)carbamoyl]am...)
Show SMILES Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C27H28ClN3O4/c1-16-8-7-13-21(28)23(16)31-27(35)29-22-15-19-12-6-5-11-18(19)14-20(22)25(32)30-24(26(33)34)17-9-3-2-4-10-17/h5-8,11-15,17,24H,2-4,9-10H2,1H3,(H,30,32)(H,33,34)(H2,29,31,35)/t24-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256117
PNG
(2-(3-(3-mesitylureido)-2-naphthamido)-2-(4-oxocycl...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC(C2CCC(=O)CC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H31N3O5/c1-16-12-17(2)25(18(3)13-16)32-29(37)30-24-15-21-7-5-4-6-20(21)14-23(24)27(34)31-26(28(35)36)19-8-10-22(33)11-9-19/h4-7,12-15,19,26H,8-11H2,1-3H3,(H,31,34)(H,35,36)(H2,30,32,37)
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n/an/a 199n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256118
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)-2-((S)-3...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H]([C@H]2CCCC(=O)C2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H31N3O5/c1-16-11-17(2)25(18(3)12-16)32-29(37)30-24-15-20-8-5-4-7-19(20)14-23(24)27(34)31-26(28(35)36)21-9-6-10-22(33)13-21/h4-5,7-8,11-12,14-15,21,26H,6,9-10,13H2,1-3H3,(H,31,34)(H,35,36)(H2,30,32,37)/t21-,26-/m0/s1
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n/an/a 132n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256167
PNG
((S)-2-((1s,4R)-4-(hydroxymethyl)cyclohexyl)-2-(3-(...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H]([C@@H]2CC[C@H](CO)CC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C30H35N3O5/c1-17-12-18(2)26(19(3)13-17)33-30(38)31-25-15-23-7-5-4-6-22(23)14-24(25)28(35)32-27(29(36)37)21-10-8-20(16-34)9-11-21/h4-7,12-15,20-21,27,34H,8-11,16H2,1-3H3,(H,32,35)(H,36,37)(H2,31,33,38)/t20-,21+,27-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256169
PNG
((S)-2-cyclohexyl-2-(3-(3-mesitylureido)-2-naphtham...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@](C)(C2CCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C30H35N3O4/c1-18-14-19(2)26(20(3)15-18)32-29(37)31-25-17-22-11-9-8-10-21(22)16-24(25)27(34)33-30(4,28(35)36)23-12-6-5-7-13-23/h8-11,14-17,23H,5-7,12-13H2,1-4H3,(H,33,34)(H,35,36)(H2,31,32,37)/t30-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256270
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cyclohexaneca...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H31N3O4/c1-17-13-18(2)24(19(3)14-17)30-27(35)29-23-16-21-10-6-5-9-20(21)15-22(23)25(32)31-28(26(33)34)11-7-4-8-12-28/h5-6,9-10,13-16H,4,7-8,11-12H2,1-3H3,(H,31,32)(H,33,34)(H2,29,30,35)
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n/an/a 339n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256328
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cycloheptanec...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H33N3O4/c1-18-14-19(2)25(20(3)15-18)31-28(36)30-24-17-22-11-7-6-10-21(22)16-23(24)26(33)32-29(27(34)35)12-8-4-5-9-13-29/h6-7,10-11,14-17H,4-5,8-9,12-13H2,1-3H3,(H,32,33)(H,34,35)(H2,30,31,36)
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n/an/a 36n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256329
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cyclooctaneca...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C30H35N3O4/c1-19-15-20(2)26(21(3)16-19)32-29(37)31-25-18-23-12-8-7-11-22(23)17-24(25)27(34)33-30(28(35)36)13-9-5-4-6-10-14-30/h7-8,11-12,15-18H,4-6,9-10,13-14H2,1-3H3,(H,33,34)(H,35,36)(H2,31,32,37)
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256330
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cyclodecaneca...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCCCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C32H39N3O4/c1-21-17-22(2)28(23(3)18-21)34-31(39)33-27-20-25-14-10-9-13-24(25)19-26(27)29(36)35-32(30(37)38)15-11-7-5-4-6-8-12-16-32/h9-10,13-14,17-20H,4-8,11-12,15-16H2,1-3H3,(H,35,36)(H,37,38)(H2,33,34,39)
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n/an/a 14n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27725
PNG
((2S)-2-[(3-{[(2-chloro-6-methylphenyl)carbamoyl]am...)
Show SMILES Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C27H28ClN3O4/c1-16-8-7-13-21(28)23(16)31-27(35)29-22-15-19-12-6-5-11-18(19)14-20(22)25(32)30-24(26(33)34)17-9-3-2-4-10-17/h5-8,11-15,17,24H,2-4,9-10H2,1H3,(H,30,32)(H,33,34)(H2,29,31,35)/t24-/m0/s1
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n/an/a 460n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in absence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27725
PNG
((2S)-2-[(3-{[(2-chloro-6-methylphenyl)carbamoyl]am...)
Show SMILES Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C27H28ClN3O4/c1-16-8-7-13-21(28)23(16)31-27(35)29-22-15-19-12-6-5-11-18(19)14-20(22)25(32)30-24(26(33)34)17-9-3-2-4-10-17/h5-8,11-15,17,24H,2-4,9-10H2,1H3,(H,30,32)(H,33,34)(H2,29,31,35)/t24-/m0/s1
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n/an/a 1.29E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A in HepG2 cells assessed as forskolin-induced glycogenolysis


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256117
PNG
(2-(3-(3-mesitylureido)-2-naphthamido)-2-(4-oxocycl...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC(C2CCC(=O)CC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H31N3O5/c1-16-12-17(2)25(18(3)13-16)32-29(37)30-24-15-21-7-5-4-6-20(21)14-23(24)27(34)31-26(28(35)36)19-8-10-22(33)11-9-19/h4-7,12-15,19,26H,8-11H2,1-3H3,(H,31,34)(H,35,36)(H2,30,32,37)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A in HepG2 cells assessed as forskolin-induced glycogenolysis


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256118
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)-2-((S)-3...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H]([C@H]2CCCC(=O)C2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H31N3O5/c1-16-11-17(2)25(18(3)12-16)32-29(37)30-24-15-20-8-5-4-7-19(20)14-23(24)27(34)31-26(28(35)36)21-9-6-10-22(33)13-21/h4-5,7-8,11-12,14-15,21,26H,6,9-10,13H2,1-3H3,(H,31,34)(H,35,36)(H2,30,32,37)/t21-,26-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A in HepG2 cells assessed as forskolin-induced glycogenolysis


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256169
PNG
((S)-2-cyclohexyl-2-(3-(3-mesitylureido)-2-naphtham...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@](C)(C2CCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C30H35N3O4/c1-18-14-19(2)26(20(3)15-18)32-29(37)31-25-17-22-11-9-8-10-21(22)16-24(25)27(34)33-30(4,28(35)36)23-12-6-5-7-13-23/h8-11,14-17,23H,5-7,12-13H2,1-4H3,(H,33,34)(H,35,36)(H2,31,32,37)/t30-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A in HepG2 cells assessed as forskolin-induced glycogenolysis


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256270
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cyclohexaneca...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H31N3O4/c1-17-13-18(2)24(19(3)14-17)30-27(35)29-23-16-21-10-6-5-9-20(21)15-22(23)25(32)31-28(26(33)34)11-7-4-8-12-28/h5-6,9-10,13-16H,4,7-8,11-12H2,1-3H3,(H,31,32)(H,33,34)(H2,29,30,35)
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n/an/a 1.39E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A in HepG2 cells assessed as forskolin-induced glycogenolysis


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256328
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cycloheptanec...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H33N3O4/c1-18-14-19(2)25(20(3)15-18)31-28(36)30-24-17-22-11-7-6-10-21(22)16-23(24)26(33)32-29(27(34)35)12-8-4-5-9-13-29/h6-7,10-11,14-17H,4-5,8-9,12-13H2,1-3H3,(H,32,33)(H,34,35)(H2,30,31,36)
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n/an/a 585n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A in HepG2 cells assessed as forskolin-induced glycogenolysis


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256329
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cyclooctaneca...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C30H35N3O4/c1-19-15-20(2)26(21(3)16-19)32-29(37)31-25-18-23-12-8-7-11-22(23)17-24(25)27(34)33-30(28(35)36)13-9-5-4-6-10-14-30/h7-8,11-12,15-18H,4-6,9-10,13-14H2,1-3H3,(H,33,34)(H,35,36)(H2,31,32,37)
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n/an/a 498n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A in HepG2 cells assessed as forskolin-induced glycogenolysis


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256330
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cyclodecaneca...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCCCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C32H39N3O4/c1-21-17-22(2)28(23(3)18-21)34-31(39)33-27-20-25-14-10-9-13-24(25)19-26(27)29(36)35-32(30(37)38)15-11-7-5-4-6-8-12-16-32/h9-10,13-14,17-20H,4-8,11-12,15-16H2,1-3H3,(H,35,36)(H,37,38)(H2,33,34,39)
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n/an/a 443n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A in HepG2 cells assessed as forskolin-induced glycogenolysis


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256117
PNG
(2-(3-(3-mesitylureido)-2-naphthamido)-2-(4-oxocycl...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC(C2CCC(=O)CC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H31N3O5/c1-16-12-17(2)25(18(3)13-16)32-29(37)30-24-15-21-7-5-4-6-20(21)14-23(24)27(34)31-26(28(35)36)19-8-10-22(33)11-9-19/h4-7,12-15,19,26H,8-11H2,1-3H3,(H,31,34)(H,35,36)(H2,30,32,37)
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n/an/a 9.40E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256169
PNG
((S)-2-cyclohexyl-2-(3-(3-mesitylureido)-2-naphtham...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@](C)(C2CCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C30H35N3O4/c1-18-14-19(2)26(20(3)15-18)32-29(37)31-25-17-22-11-9-8-10-21(22)16-24(25)27(34)33-30(4,28(35)36)23-12-6-5-7-13-23/h8-11,14-17,23H,5-7,12-13H2,1-4H3,(H,33,34)(H,35,36)(H2,31,32,37)/t30-/m0/s1
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n/an/a 9.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256270
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cyclohexaneca...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H31N3O4/c1-17-13-18(2)24(19(3)14-17)30-27(35)29-23-16-21-10-6-5-9-20(21)15-22(23)25(32)31-28(26(33)34)11-7-4-8-12-28/h5-6,9-10,13-16H,4,7-8,11-12H2,1-3H3,(H,31,32)(H,33,34)(H2,29,30,35)
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n/an/a>3.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256328
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cycloheptanec...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H33N3O4/c1-18-14-19(2)25(20(3)15-18)31-28(36)30-24-17-22-11-7-6-10-21(22)16-23(24)26(33)32-29(27(34)35)12-8-4-5-9-13-29/h6-7,10-11,14-17H,4-5,8-9,12-13H2,1-3H3,(H,32,33)(H,34,35)(H2,30,31,36)
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n/an/a 4.10E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256329
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cyclooctaneca...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C30H35N3O4/c1-19-15-20(2)26(21(3)16-19)32-29(37)31-25-18-23-12-8-7-11-22(23)17-24(25)27(34)33-30(28(35)36)13-9-5-4-6-10-14-30/h7-8,11-12,15-18H,4-6,9-10,13-14H2,1-3H3,(H,33,34)(H,35,36)(H2,31,32,37)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM27725
PNG
((2S)-2-[(3-{[(2-chloro-6-methylphenyl)carbamoyl]am...)
Show SMILES Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C27H28ClN3O4/c1-16-8-7-13-21(28)23(16)31-27(35)29-22-15-19-12-6-5-11-18(19)14-20(22)25(32)30-24(26(33)34)17-9-3-2-4-10-17/h5-8,11-15,17,24H,2-4,9-10H2,1H3,(H,30,32)(H,33,34)(H2,29,31,35)/t24-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256574
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)-5,5-dime...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](CCC(C)(C)C)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H35N3O4/c1-17-13-18(2)25(19(3)14-17)32-28(36)31-24-16-21-10-8-7-9-20(21)15-22(24)26(33)30-23(27(34)35)11-12-29(4,5)6/h7-10,13-16,23H,11-12H2,1-6H3,(H,30,33)(H,34,35)(H2,31,32,36)/t23-/m0/s1
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n/an/a 311n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of liver glycogen phosphorylase A in human HepG2 cells assessed as inhibition of forskolin-induced glucogenolysis


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256573
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)-5-methyl...)
Show SMILES CC(C)CC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C28H33N3O4/c1-16(2)10-11-23(27(33)34)29-26(32)22-14-20-8-6-7-9-21(20)15-24(22)30-28(35)31-25-18(4)12-17(3)13-19(25)5/h6-9,12-16,23H,10-11H2,1-5H3,(H,29,32)(H,33,34)(H2,30,31,35)/t23-/m0/s1
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n/an/a 452n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of liver glycogen phosphorylase A in human HepG2 cells assessed as inhibition of forskolin-induced glucogenolysis


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256444
PNG
((2S,3S)-2-(3-(3-mesitylureido)-2-naphthamido)-3-me...)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C27H31N3O4/c1-6-16(3)24(26(32)33)29-25(31)21-13-19-9-7-8-10-20(19)14-22(21)28-27(34)30-23-17(4)11-15(2)12-18(23)5/h7-14,16,24H,6H2,1-5H3,(H,29,31)(H,32,33)(H2,28,30,34)/t16-,24-/m0/s1
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n/an/a 688n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of liver glycogen phosphorylase A in human HepG2 cells assessed as inhibition of forskolin-induced glucogenolysis


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256523
PNG
(2-(3-(3-mesitylureido)-2-naphthamido)heptanoic aci...)
Show SMILES CCCCCC(NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C28H33N3O4/c1-5-6-7-12-23(27(33)34)29-26(32)22-15-20-10-8-9-11-21(20)16-24(22)30-28(35)31-25-18(3)13-17(2)14-19(25)4/h8-11,13-16,23H,5-7,12H2,1-4H3,(H,29,32)(H,33,34)(H2,30,31,35)
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n/an/a 1.53E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of liver glycogen phosphorylase A in human HepG2 cells assessed as inhibition of forskolin-induced glucogenolysis


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256573
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)-5-methyl...)
Show SMILES CC(C)CC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C28H33N3O4/c1-16(2)10-11-23(27(33)34)29-26(32)22-14-20-8-6-7-9-21(20)15-24(22)30-28(35)31-25-18(4)12-17(3)13-19(25)5/h6-9,12-16,23H,10-11H2,1-5H3,(H,29,32)(H,33,34)(H2,30,31,35)/t23-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256574
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)-5,5-dime...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](CCC(C)(C)C)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H35N3O4/c1-17-13-18(2)25(19(3)14-17)32-28(36)31-24-16-21-10-8-7-9-20(21)15-22(24)26(33)30-23(27(34)35)11-12-29(4,5)6/h7-10,13-16,23H,11-12H2,1-6H3,(H,30,33)(H,34,35)(H2,31,32,36)/t23-/m0/s1
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n/an/a 450n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256573
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)-5-methyl...)
Show SMILES CC(C)CC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C28H33N3O4/c1-16(2)10-11-23(27(33)34)29-26(32)22-14-20-8-6-7-9-21(20)15-24(22)30-28(35)31-25-18(4)12-17(3)13-19(25)5/h6-9,12-16,23H,10-11H2,1-5H3,(H,29,32)(H,33,34)(H2,30,31,35)/t23-/m0/s1
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n/an/a 740n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256444
PNG
((2S,3S)-2-(3-(3-mesitylureido)-2-naphthamido)-3-me...)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C27H31N3O4/c1-6-16(3)24(26(32)33)29-25(31)21-13-19-9-7-8-10-20(19)14-22(21)28-27(34)30-23-17(4)11-15(2)12-18(23)5/h7-14,16,24H,6H2,1-5H3,(H,29,31)(H,32,33)(H2,28,30,34)/t16-,24-/m0/s1
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n/an/a 1.94E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256574
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)-5,5-dime...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](CCC(C)(C)C)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H35N3O4/c1-17-13-18(2)25(19(3)14-17)32-28(36)31-24-16-21-10-8-7-9-20(21)15-22(24)26(33)30-23(27(34)35)11-12-29(4,5)6/h7-10,13-16,23H,11-12H2,1-6H3,(H,30,33)(H,34,35)(H2,31,32,36)/t23-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256523
PNG
(2-(3-(3-mesitylureido)-2-naphthamido)heptanoic aci...)
Show SMILES CCCCCC(NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C28H33N3O4/c1-5-6-7-12-23(27(33)34)29-26(32)22-15-20-10-8-9-11-21(20)16-24(22)30-28(35)31-25-18(3)13-17(2)14-19(25)4/h8-11,13-16,23H,5-7,12H2,1-4H3,(H,29,32)(H,33,34)(H2,30,31,35)
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n/an/a 114n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50243551
PNG
((S)-2-(1-(3-(2-chloro-6-methylphenyl)ureido)-1-nap...)
Show SMILES Cc1cccc(Cl)c1NC(=O)Nc1ccc(C(=O)N[C@@H](C2CCCCC2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C27H28ClN3O4/c1-16-8-7-13-21(28)23(16)31-27(35)29-22-15-14-20(18-11-5-6-12-19(18)22)25(32)30-24(26(33)34)17-9-3-2-4-10-17/h5-8,11-15,17,24H,2-4,9-10H2,1H3,(H,30,32)(H,33,34)(H2,29,31,35)/t24-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human glycogen phosphorylase alpha


Bioorg Med Chem Lett 18: 4068-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.102
BindingDB Entry DOI: 10.7270/Q23R0SPM
More data for this
Ligand-Target Pair